UCSF

ZINC37720440

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2009 15 Yes

Popular Name: {2-[2-(3-methylbutoxy)phenyl]ethyl}amine hydrochloride {2-[2-(3-methylbutoxy)phenyl]eth…

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CAS Numbers: 1179153-30-0 , 1201633-45-5 , [1201633-45-5]

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.58 5.69 -41.88 3 2 1 37 208.325 6 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

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Analogs ( Draw Identity 99% 90% 80% 70% )